SCHEMBL7191065

SCHEMBL7191065

CC(CCC(=O)OO)COc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.40
▸ PARP10 Q53GL7 1/20 0.40
▸ FFAR1 O14842 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NR4A2 P43354 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GPR88 Q9GZN0 1/20 0.37
▸ LTA4H P09960 1/20 0.37
▸ TSHR P16473 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6056247 0.81 LTA4H (0.48) FFAR1KDM4ESMN1; SMN2NR4A2LTA4H
SCHEMBL21949866 0.77 GPR88 (0.44) GPR88
SCHEMBL14593495 0.77 ALDH1A1 (0.47) FFAR1MAPTALDH1A1
SCHEMBL19326894 0.75 MAPT (0.47) KDM4ESMN1; SMN2MAPTALDH1A1GPR88
SCHEMBL7191061 0.73 FFAR1 (0.42) FFAR1KDM4ESMN1; SMN2MAPTNR4A2
SCHEMBL5662052 0.72 TSHR (0.40) MAOBMAPTTSHR
SCHEMBL5664562 0.72 TSHR (0.40) MAOBMAPTTSHR
SCHEMBL9721664 0.72 TSHR (0.40) MAOBMAPTTSHR
SCHEMBL11550872 0.71 MAOB (0.44) MAOBPARP10KDM4ESMN1; SMN2MAPT
SCHEMBL1840653 0.71 LMNA (0.64) MAPTTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6649381-B1 Biosynthesis of high purity polylactones CANON KABUSHIKI KAISHA (JP) 2003-11-18 — — US disclosed
US-6586562-B2 Polylactone with units such as of 3-hydroxy-5-(4-fluorophenyl)valeric acid; biosynthesis of the polylactone by microorganism; Pseudomonas cichorii; P. putida; P. jessenii CANON KABUSHIKI KAISHA (JP) 2003-07-01 — — US disclosed
US-20020022253-A1 Polyhydroxyalkanoate, method for production thereof and microorganisms for use in the same CANON KABUSHIKI KAISHA (JP) 2002-02-21 — — US disclosed
Send feedback